Diopside Nazzareni S, Molin G, Skogby H, Dal Negro A European Journal of Mineralogy 16 (2004) 443-449 Crystal chemistry of Ti3+-Ti4+-bearing synthetic diopsides Sample: Di73* _database_code_amcsd 0007073 9.765 8.929 5.284 90 106.19 90 C2/c atom x y z occ Uiso Ca2 0 .30145 .25 .844 .0139 Na2 0 .30145 .25 .128 .0139 Mg1 0 .90640 .25 .922 .0095 Ti3+1 0 .90640 .25 .056 .0095 Ti4+1 0 .90640 .25 .044 .0095 Si .28714 .09287 .23022 .944 .0087 Ti4+ .28714 .09287 .23022 .044 .0087 B .28714 .09287 .23022 .012 .0087 O1 .1156 .0867 .1418 .0103 O2 .3613 .2511 .3173 .0132 O3 .3511 .0166 .9981 .0127